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TQY

Summary
Name:6-O-octanoyl-alpha-D-glucopyranose
Formula:C14 H26 O7
Formal charge:0
Formula weight:306.352 Da
Component type:D-saccharide, alpha linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-O-octanoyl-alpha-D-glucopyranose
OpenEye OEToolkits2.0.7[(2~{R},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl octanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=O)(CCCCCCC)OCC1C(C(C(C(O1)O)O)O)O
InChIInChI1.03InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(15)20-8-9-11(16)12(17)13(18)14(19)21-9/h9,11-14,16-19H,2-8H2,1H3/t9-,11-,12+,13-,14+/m1/s1
InChIKeyInChI1.03ZLDMSVMGGVMZGO-LPUQOGTASA-N
SMILES_CANONICALCACTVS3.385CCCCCCCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385CCCCCCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
SMILESOpenEye OEToolkits2.0.7CCCCCCCC(=O)OCC1C(C(C(C(O1)O)O)O)O

219140

PDB entries from 2024-05-01

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